SCHEMBL7464603

SCHEMBL7464603

COc1nc2cc(F)c(Cl)c(N(CCO)S(C)(=O)=O)c2nc1OC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.39
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8650855 0.89 GRIN1 (0.42) GRIN1MEN1PKMKMT2A
SCHEMBL7471711 0.87 GRIN1 (0.39) GRIN1ALDH1A1
SCHEMBL8488434 0.81 GRIN1 (0.43) GRIN1ALDH1A1MEN1PKMKMT2A
SCHEMBL7470542 0.80 GRIN1 (0.39) GRIN1MEN1PKMKMT2A
SCHEMBL8488354 0.79 GRIN1 (0.40) GRIN1ALDH1A1MEN1PKMKMT2A
SCHEMBL8488133 0.76 GRIN1 (0.39) GRIN1ALDH1A1MEN1PKMKMT2A
SCHEMBL8930335 0.75 GRIN1 (0.38) GRIN1
SCHEMBL8487399 0.74 GRIN1 (0.40) GRIN1MEN1PKMKMT2A
SCHEMBL8488510 0.74 GRIN1 (0.49) GRIN1ALDH1A1MEN1PKMKMT2A
SCHEMBL7467566 0.74 GRIN1 (0.39) GRIN1ALDH1A1MEN1PKMKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783495-B1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LTD (GB) 2002-02-27 EP disclosed
US-5852016-A Quinoxaline derivatives useful in therapy PFIZER INC. (US) 1998-12-22 US disclosed
EP-0783495-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY Pfizer Limited (GB) 1997-07-16 EP disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed